N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide

C19H31N3O5S — CID 55948926

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C19H31N3O5S/c1-6-14(4)21-18(23)11-12-20-19(24)15-9-10-16(27-5)17(13-15)28(25,26)22(7-2)8-3/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyKAGYUJSDIPFQKX-UHFFFAOYSA-N
MW413.54 g/mol
LogP1.76
Rot. Bonds11

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 55948926) has the molecular formula C19H31N3O5S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID55948926
Molecular FormulaC19H31N3O5S
Molecular Weight413.54 g/mol
Exact Mass413.20
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C19H31N3O5S/c1-6-14(4)21-18(23)11-12-20-19(24)15-9-10-16(27-5)17(13-15)28(25,26)22(7-2)8-3/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyKAGYUJSDIPFQKX-UHFFFAOYSA-N
XLogP1.76
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 55948926) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide is CCC(C)NC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is KAGYUJSDIPFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5S/c1-6-14(4)21-18(23)11-12-20-19(24)15-9-10-16(27-5)17(13-15)28(25,26)22(7-2)8-3/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 413.54 g/mol, XLogP of 1.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55948926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).