N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide

C17H25N3O4S — CID 47067351

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-12(2)19-16(21)10-11-18-17(22)13-4-8-15(9-5-13)25(23,24)20-14-6-7-14/h4-5,8-9,12,14,20H,3,6-7,10-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUANMGHJYEDYWFJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.16
Rot. Bonds9

About N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 47067351) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
PubChem CID47067351
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-12(2)19-16(21)10-11-18-17(22)13-4-8-15(9-5-13)25(23,24)20-14-6-7-14/h4-5,8-9,12,14,20H,3,6-7,10-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUANMGHJYEDYWFJ-UHFFFAOYSA-N
XLogP1.16
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 52510027
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CID 46433043
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 109061209
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 27887946
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide (CID 47067351) is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide is CCC(C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is UANMGHJYEDYWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-12(2)19-16(21)10-11-18-17(22)13-4-8-15(9-5-13)25(23,24)20-14-6-7-14/h4-5,8-9,12,14,20H,3,6-7,10-11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 367.47 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 47067351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).