N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide

C22H29N3O4S — CID 122185699

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1
InChIKeyOXVGTYUWTSCSAX-FQEVSTJZSA-N
MW431.56 g/mol
LogP2.32
Rot. Bonds11

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 122185699) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide
PubChem CID122185699
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1
InChIKeyOXVGTYUWTSCSAX-FQEVSTJZSA-N
XLogP2.32
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Acetohexamide
CID 1989
N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-benzyl-4-sulfamoylbenzamide
CID 4347
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide (CID 122185699) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is OXVGTYUWTSCSAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 122185699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).